Home Boronic acids 4-((Phenylamino)methyl)phenylboronic acid

4-((Phenylamino)methyl)phenylboronic acid

CAS No.:
690957-44-9
Catalog Number:
AG005L87
Molecular Formula:
C13H14BNO2
Molecular Weight:
227.0668
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$82
- +
5g
97%
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG005L87
Chemical Name:
4-((Phenylamino)methyl)phenylboronic acid
CAS Number:
690957-44-9
Molecular Formula:
C13H14BNO2
Molecular Weight:
227.0668
MDL Number:
MFCD10699630
IUPAC Name:
[4-(anilinomethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H14BNO2/c16-14(17)12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9,15-17H,10H2
InChI Key:
FHQIDGWZDOKKDI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CNc1ccccc1)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.112g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
227.07g/mol
Monoisotopic Mass:
227.112g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties